• Formula : SiO2
  • Space Group : P2/c (13)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.26786
    b = 4.43541
    c = 9.03988
    α = 90.0
    β = 150.9807
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 64
  • Band gap = 0.4641 eV
    Direct Gap = 0.464 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Chemical evaluation of hypothetical uninodal zeolites,
    Journal of the American Chemical Society 126, 9769 (2004)

Band structure with spin-orbit coupling